SCHEMBL7128884

SCHEMBL7128884

CCC=C(OC(=O)OC(=CCC)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.46
CES2 O00748 3/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LMNA P02545 2/20 0.42
ELANE P08246 1/20 0.41
TSHR P16473 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRSS1 P07477 2/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
AKT1 P31749 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5513078 0.88 ATM (0.43) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL5513089 0.88 ATM (0.43) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL9333553 0.87 CES1 (0.44) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL9333558 0.87 CES1 (0.44) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL6175771 0.81 MTNR1A (0.39) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL7132464 0.80 TSHR (0.45) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL5085213 0.79 TSHR (0.43) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL23152624 0.77 ATM (0.36) CES1CES2MTNR1AMTNR1BLMNA
SCHEMBL22333681 0.77 MEN1 (0.43) LMNATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL2090769 0.77 MEN1 (0.43) LMNATSHRMAPTSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664008-B1 Comprising solute, cyclic carbonate solvent, and separator; lithium batteries MITSUBISHI CHEMICAL CORPORATION (JP) 2003-12-16 US claimed
US-6664008-B1 Comprising solute, cyclic carbonate solvent, and separator; lithium batteries MITSUBISHI CHEMICAL CORPORATION (JP) 2003-12-16 US disclosed
EP-1096592-A1 SECONDARY BATTERY HAVING NONAQUEOUS ELECTROLYTE SOLUTION MITSUBISHI CHEMICAL CORPORATION (JP) 2001-05-02 EP disclosed